4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | 8019-5853 |
| Compound Name: | 4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 355.78 |
| Molecular Formula: | C18 H14 Cl N3 O3 |
| Smiles: | Cc1ccc2c(c1)N(Cc1nnc(c3ccc(cc3)[Cl])o1)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2741 |
| logD: | 3.2741 |
| logSw: | -3.569 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.25 |
| InChI Key: | UURVWMXNYPCJPK-UHFFFAOYSA-N |